Aplicación de la topología molecular para la predicción de la actividad anti-VIH-1 de un grupo de compuestos análogos del aciclovir y ganciclovir

1. García Domenech, Ramón
2. Montealegre Angarita, Mayra C.
3. Nagham, Edwige G.
4. Sandoval, Nancy
5. Santana, Manuel

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Outras publicacións en: Anales de la Real Academia Nacional de Farmacia

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By using multilinear regression analysis, a topological-mathematical model has been built to predict the anti-HIV-1 activity for a group of acyclovir and ganciclovir analogs. The structural depiction was performed by using topological indices and one model with four variables for the prediction of EC50 (R2 = 0.8762 and Q2 = 0.8216) was selected. The model was checked by cross-validation, internal validation and randomization test. The results confirm its capability to predict the property analyzed.

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